| CAS Number | 200936-83-0 |
| Catalog Number | AG00BEVC(AGN-PC-0QRRY0) |
| Chemical Name | Boc-n-et-leu-oh dcha |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoic acid |
| InChI | InChI=1S/C13H25NO4.C12H23N/c1-7-14(12(17)18-13(4,5)6)10(11(15)16)8-9(2)3;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h9-10H,7-8H2,1-6H3,(H,15,16);11-13H,1-10H2/t10-;/m0./s1 |
| InChI Key | SRZJZVOYRZOXHC-PPHPATTJSA-N |
| MDL Number | MFCD00237566 |
| Molecular Formula | C25H48N2O4 |
| Molecular Weight | 440.6596 |
| SMILES | CCN([C@@H](CC(C)C)C(O)=O)C(OC(C)(C)C)=O.C1(CCCCC1)NC2CCCCC2 |
| Synonyms | BOC-N-ET-LEU-OH DCHA,
200936-83-0,
C13H25NO4.C12H23N,
6420AH,
MFCD00237566,
ACM200936830,
AS-49245,
Boc-N-ethyl-L-leucine dicyclohexylammonium salt,
K-5870,
dicyclohexylamine (S)-2-(tert-butoxycarbonyl(ethyl)amino)-4-methylpentanoate,
Boc-N-Et-Leu-OH . DCHA,
|
| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 440.361g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 440.669g/mol |
| Monoisotopic Mass | 440.361g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number